3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid

C16H12N2O3S — CID 162731592

IUPAC3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid
SMILESCc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)O)c1O
InChIInChI=1S/C16H12N2O3S/c1-9-11(7-17-13(14(9)19)16(20)21)12-8-18-15(22-12)10-5-3-2-4-6-10/h2-8,19H,1H3,(H,20,21)
InChIKeyVMFQKGZFXCSAQZ-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.58
Rot. Bonds3

About 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid

3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 162731592) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid
PubChem CID162731592
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid
SMILESCc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)O)c1O
InChIInChI=1S/C16H12N2O3S/c1-9-11(7-17-13(14(9)19)16(20)21)12-8-18-15(22-12)10-5-3-2-4-6-10/h2-8,19H,1H3,(H,20,21)
InChIKeyVMFQKGZFXCSAQZ-UHFFFAOYSA-N
XLogP3.58
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-(7-Phenylheptanoyl)thiazol-5-yl)-picolinic Acid
CID 24950523
2-[[3-Hydroxy-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
CID 162731563
2-[[3-Hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carbonyl]amino]acetic acid
CID 162731674
US20230348450, Example 293
CID 162757011
US20230348450, Example 310
CID 162757383
2-(4-Fluoro-phenyl)-4-hydroxy-thieno[2,3-c]pyridine-5-carboxylic acid butyl ester
CID 67233024
2-(4-Fluorophenyl)-7-hydroxythieno[3,2-c]pyridine-6-carboxylic acid
CID 141154680
US20230348450, Example 299
CID 162757147
2-(4-Cyano-5-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
CID 45257151
2-(5-Cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
CID 45376505
Methyl 4-[3-hydroxy-5-(1,3-thiazol-2-yl)-2-pyridinyl]-4-oxobutanoate
CID 59637250
Methyl 6-hydroxy-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5-carboxylate
CID 67169635

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid (CID 162731592) is 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid is Cc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is VMFQKGZFXCSAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-9-11(7-17-13(14(9)19)16(20)21)12-8-18-15(22-12)10-5-3-2-4-6-10/h2-8,19H,1H3,(H,20,21).
What are the key properties of 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid?
3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 162731592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).